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	hartrees
Energy at 0K	-170.952928
Energy at 298.15K	-170.959375
HF Energy	-170.952928
Nuclear repulsion energy	81.562516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3691	3650	14.21
2	A	3506	3467	3.50
3	A	3422	3383	1.77
4	A	3029	2995	21.44
5	A	2955	2922	48.59
6	A	1610	1592	24.56
7	A	1445	1429	0.24
8	A	1365	1350	27.46
9	A	1338	1323	2.28
10	A	1315	1301	2.90
11	A	1122	1109	33.95
12	A	1069	1057	25.69
13	A	932	921	226.13
14	A	875	866	4.24
15	A	762	753	151.70
16	A	460	455	44.26
17	A	389	385	73.42
18	A	266	263	68.14

Atom	x (Å)	y (Å)	z (Å)
N1	1.235	-0.161	-0.020
C2	-0.024	0.534	0.048
O3	-1.217	-0.263	-0.118
H4	1.309	-0.710	-0.877
H5	1.376	-0.786	0.774
H6	-0.062	1.082	1.004
H7	-0.073	1.259	-0.774
H8	-1.318	-0.821	0.670

	N1	C2	O3	H4	H5	H6	H7	H8
N1		1.4396	2.4558	1.0204	1.0201	2.0677	2.0730	2.7260
C2	1.4396		1.4435	2.0442	2.0561	1.1024	1.0978	1.9739
O3	2.4558	1.4435		2.6745	2.7912	2.0975	2.0133	0.9717
H4	1.0204	2.0442	2.6745		1.6538	2.9372	2.4081	3.0506
H5	1.0201	2.0561	2.7912	1.6538		2.3684	2.9460	2.6961
H6	2.0677	1.1024	2.0975	2.9372	2.3684		1.7866	2.3043
H7	2.0730	1.0978	2.0133	2.4081	2.9460	1.7866		2.8220
H8	2.7260	1.9739	0.9717	3.0506	2.6961	2.3043	2.8220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	O3	116.815	N1	C2	H6	108.127
N1	C2	H7	108.822	C2	N1	H4	111.250
C2	N1	H5	112.300	C2	O3	H8	108.037
O3	C2	H6	110.229	O3	C2	H7	103.963
H4	N1	H5	108.286	H6	C2	H7	108.592

All results from a given calculation for NH₂CH₂OH (aminomethanol)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	N	-0.317
2	C	-0.038
3	O	-0.426
4	H	0.068
5	H	0.060
6	H	0.240
7	H	0.287
8	H	0.127

	x	y	z	Total
	0.436	-0.953	1.214	1.604
CHELPG
AIM
ESP

	x	y	z
x	5.628	0.071	-0.090
y	0.071	4.864	-0.039
z	-0.090	-0.039	4.484

<r²>	50.734
(<r²>)^1/2	7.123

All results from a given calculation for NH2CH2OH (aminomethanol)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂OH (aminomethanol)